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Updated: Jun 15, 2026

Surface Properties of Synthesized Nanoporous Carbon and Silica Matrices
Published on: March 27, 2019
Analytical and molecular simulation study of water condensation behavior in mesopores with closed ends
1Department of Mechanical Engineering, University of Maryland, College Park, Maryland 20742, USA. csjang@gmail.com
Abstract:
Mesopores present in inorganic barrier films have a unique structure since the bottom sides are blocked by underlying polymer substrates. Characterization of pore blockage by water condensation is important in understanding gas transport mechanisms because the pore blockage changes the transmission behavior of water vapor itself as well as other gases. In this study a water condensation behavior inside mesopores is investigated analytically and numerically. Appropriate modifications from the classical Kelvin equation-based solution are suggested to account for local and discrete molecular interactions and submolecular meniscus tip geometry. Grand canonical Monte Carlo simulations are also conducted to simulate the present problem and the result is compared with the analytical solutions.
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